SCHEMBL6796258

SCHEMBL6796258

CN(C)c1cc(Nc2ccc(Cl)cc2C(F)(F)F)nc(N2CCN(Cc3ccccc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 2/20 0.41
CASP5 P51878 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GPR6 P46095 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 1/20 0.38
CASP4 P49662 1/20 0.38
HTR2C P28335 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6783850 0.86 ACHE (0.51) ACHEALDH1A1MAPTTSHRCASP1
SCHEMBL8095257 0.85 ACHE (0.51) ACHEMAPTTSHRCASP1CASP5
SCHEMBL6795082 0.83 ACHE (0.54) ACHEALDH1A1MAPTTSHRCASP1
SCHEMBL6789057 0.83 LMNA (0.51) ACHEMAPTTSHRCASP1CASP5
SCHEMBL3246107 0.82 CASP1 (0.44) ACHEALDH1A1MAPTCASP1CASP5
SCHEMBL6784463 0.80 HTR2C (0.56) ACHECASP1CASP5KDM4EGPR6
SCHEMBL6788923 0.80 TSHR (0.51) ACHEALDH1A1MAPTTSHRCASP1
SCHEMBL13552258 0.79 HTR2C (0.46) ACHEALDH1A1MAPTTSHRCASP1
SCHEMBL6791357 0.79 SIGMAR1 (0.45) ACHEMAPTTSHRCASP1CASP5
SCHEMBL6790642 0.79 LMNA (0.47) ACHEALDH1A1MAPTCASP1CASP5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2140864-A2 Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2009-12-24 US disclosed
US-7465750-B2 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods H. LUNDBECK A/S (US) 2008-12-16 US disclosed
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods BLACKBURN THOMAS P 2007-11-08 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression SYNAPTIC PHARMACEUTICAL CORPORATION 2004-07-01 US disclosed
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative H. LUNDBECK A/S (DK) 2004-06-10 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 US disclosed
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods SYNAPTIC PHARMACEUTICAL CORPORATION 2003-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318504-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ACHE 1097/4885ALDH1A1 1921/4885MAPT 3040/4885
US-20030078271-A1 Use of GAL3 receptor antagonists for the treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ACHE 1097/4885ALDH1A1 1921/4885MAPT 3040/4885
US-20040110821-A1 administering to the subject suffering from affective disorder a 3-IMINO-1,3-DIHYDRO-2H-INDOL-2-ONE derivative GALR3, GALR2, GALR1 ACHE 1183/4885ALDH1A1 1194/4885MAPT 1723/4885
US-20040127502-A1 Use of GAL3 antagonist for treatment of depression GALR3, GALR2, GALR1 ACHE 757/4885ALDH1A1 2098/4885MAPT 3133/4885
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 ACHE 221/4885ALDH1A1 3303/4885MAPT 3177/4885
US-20070259942-A1 Use of GAL3 antagonist for treatment of depression and/or anxiety and compounds useful in such methods GALR3, GALR2, GALR1 ACHE 809/4885ALDH1A1 1882/4885MAPT 2990/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.